Geometry & MOs

Info

ID:	358326
PubChem CID:	127295871
Reduced:	FO2N4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	377.267842
ΔH_f, kcal/mol:	-87.56
Dipole, Da:	2.2
IP(EA), eV:	-9.4(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations